2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]sulfanyl-1-phenylethanone

C19H15ClN2O2S — CID 995838

IUPAC2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]sulfanyl-1-phenylethanone
SMILESCc1cc(Oc2ccc(Cl)cc2)nc(SCC(=O)c2ccccc2)n1
InChIInChI=1S/C19H15ClN2O2S/c1-13-11-18(24-16-9-7-15(20)8-10-16)22-19(21-13)25-12-17(23)14-5-3-2-4-6-14/h2-11H,12H2,1H3
InChIKeyKFZWWEXVDZOWCV-UHFFFAOYSA-N
MW370.86 g/mol
LogP5.21
Rot. Bonds6

About 2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]sulfanyl-1-phenylethanone

2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]sulfanyl-1-phenylethanone (PubChem CID 995838) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is 2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]sulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]sulfanyl-1-phenylethanone
PubChem CID995838
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]sulfanyl-1-phenylethanone
SMILESCc1cc(Oc2ccc(Cl)cc2)nc(SCC(=O)c2ccccc2)n1
InChIInChI=1S/C19H15ClN2O2S/c1-13-11-18(24-16-9-7-15(20)8-10-16)22-19(21-13)25-12-17(23)14-5-3-2-4-6-14/h2-11H,12H2,1H3
InChIKeyKFZWWEXVDZOWCV-UHFFFAOYSA-N
XLogP5.21
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.86
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]sulfanyl-1-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethoxyphenyl]ethanone
CID 701556
2-[4-Methyl-6-(naphthalen-2-yloxy)-pyrimidin-2-ylsulfanyl]-1-phenyl-ethanone
CID 1207077
1-(4-Chlorophenyl)-2-((4-(4-methoxyphenyl)pyrimidin-2-yl)thio)ethanone
CID 5103515
2-[4-(3-Chloro-4-methylphenoxy)-6-methylpyrimidin-2-yl]sulfanyl-1-phenylethanone
CID 995839
2-[4-(4-Bromo-phenoxy)-6-methyl-pyrimidin-2-ylsulfanyl]-1-phenyl-ethanone
CID 995842
2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 4-chlorobenzenecarboxylate
CID 1474906
2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 2-chlorobenzenecarboxylate
CID 1474907
2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-chlorobenzenecarboxylate
CID 1474909
2-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone
CID 694596
[2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-5,6-dimethylpyrimidin-4-yl] 4-tert-butylbenzoate
CID 2730051
2-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]chromen-4-one
CID 72203740
2-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methylchromen-4-one
CID 72204098

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]sulfanyl-1-phenylethanone?
The IUPAC name of 2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]sulfanyl-1-phenylethanone (CID 995838) is 2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]sulfanyl-1-phenylethanone.
What is the SMILES notation for 2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]sulfanyl-1-phenylethanone?
The canonical SMILES for 2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]sulfanyl-1-phenylethanone is Cc1cc(Oc2ccc(Cl)cc2)nc(SCC(=O)c2ccccc2)n1.
What is the InChIKey of 2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]sulfanyl-1-phenylethanone?
The InChIKey is KFZWWEXVDZOWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c1-13-11-18(24-16-9-7-15(20)8-10-16)22-19(21-13)25-12-17(23)14-5-3-2-4-6-14/h2-11H,12H2,1H3.
What are the key properties of 2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]sulfanyl-1-phenylethanone?
2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]sulfanyl-1-phenylethanone has a molecular weight of 370.86 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]sulfanyl-1-phenylethanone is sourced from PubChem (CID 995838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).